1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione

C25H25N3O4 — CID 4754207

IUPAC1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1
InChIInChI=1S/C25H25N3O4/c1-17-4-6-19(7-5-17)23(29)21-22(18-8-10-20(32-2)11-9-18)28(25(31)24(21)30)14-3-13-27-15-12-26-16-27/h4-12,15-16,21-22H,3,13-14H2,1-2H3
InChIKeyCSFZLWSDPTUTEO-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.24
Rot. Bonds8

About 1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione

1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione (PubChem CID 4754207) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
PubChem CID4754207
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1
InChIInChI=1S/C25H25N3O4/c1-17-4-6-19(7-5-17)23(29)21-22(18-8-10-20(32-2)11-9-18)28(25(31)24(21)30)14-3-13-27-15-12-26-16-27/h4-12,15-16,21-22H,3,13-14H2,1-2H3
InChIKeyCSFZLWSDPTUTEO-UHFFFAOYSA-N
XLogP3.24
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
CID 4756786
5-(4-chlorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(4-propan-2-yloxybenzoyl)pyrrolidine-2,3-dione
CID 4572271
3-[2-(4-methoxyphenyl)-3-(4-methylbenzoyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
CID 4099421
3-[2-(4-methoxyphenyl)-3-(4-methylbenzoyl)-4,5-dioxopyrrolidin-1-yl]propanoate
CID 4099420
5-(4-tert-butylphenyl)-4-(3-chloro-4-methoxybenzoyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 4047943
(4E,5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 5447682
5-(4-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 91896302
4-ethyl-1-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 123225684
5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4756578
5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 4750188
dimethyl-[3-[3-(4-methylbenzoyl)-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]propyl]azanium
CID 4756387
5-(4-hydroxy-3-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)pyrrolidine-2,3-dione
CID 91896322

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione (CID 4754207) is 1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione is COc1ccc(C2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione?
The InChIKey is CSFZLWSDPTUTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17-4-6-19(7-5-17)23(29)21-22(18-8-10-20(32-2)11-9-18)28(25(31)24(21)30)14-3-13-27-15-12-26-16-27/h4-12,15-16,21-22H,3,13-14H2,1-2H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione?
1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione has a molecular weight of 431.49 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 4754207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).